2-cyano-N-[(2,4-dimethylphenyl)methyl]pyridine-4-carboxamide

C16H15N3O — CID 115115865

IUPAC2-cyano-N-[(2,4-dimethylphenyl)methyl]pyridine-4-carboxamide
SMILESCc1ccc(CNC(=O)c2ccnc(C#N)c2)c(C)c1
InChIInChI=1S/C16H15N3O/c1-11-3-4-14(12(2)7-11)10-19-16(20)13-5-6-18-15(8-13)9-17/h3-8H,10H2,1-2H3,(H,19,20)
InChIKeyZCQKCZZVNXDQDW-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.50
Rot. Bonds3

About 2-cyano-N-[(2,4-dimethylphenyl)methyl]pyridine-4-carboxamide

2-cyano-N-[(2,4-dimethylphenyl)methyl]pyridine-4-carboxamide (PubChem CID 115115865) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-cyano-N-[(2,4-dimethylphenyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-cyano-N-[(2,4-dimethylphenyl)methyl]pyridine-4-carboxamide
PubChem CID115115865
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name2-cyano-N-[(2,4-dimethylphenyl)methyl]pyridine-4-carboxamide
SMILESCc1ccc(CNC(=O)c2ccnc(C#N)c2)c(C)c1
InChIInChI=1S/C16H15N3O/c1-11-3-4-14(12(2)7-11)10-19-16(20)13-5-6-18-15(8-13)9-17/h3-8H,10H2,1-2H3,(H,19,20)
InChIKeyZCQKCZZVNXDQDW-UHFFFAOYSA-N
XLogP2.50
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-[(5-methylfuran-2-yl)methyl]pyridine-4-carboxamide
CID 115115877
6-cyano-N-[(2,4-dimethylphenyl)methyl]pyridine-2-carboxamide
CID 115116507
N-[(2,4-dimethylphenyl)methyl]-4-methoxybenzamide
CID 3289325
N-[(2-cyano-4-pyridinyl)methyl]pyridine-4-carboxamide
CID 140582866
2-cyano-N-(3,3,3-trifluoropropyl)pyridine-4-carboxamide
CID 112527763
2-cyano-N-propan-2-ylpyridine-4-carboxamide
CID 112520008
N-[(2,4-dimethylphenyl)methyl]-1-methylpyrazole-4-carboxamide
CID 86925542
N-[(2,4-dimethylphenyl)methyl]-3-ethoxy-4-methoxybenzamide
CID 46590873
2-cyano-N-(2,2,4-trimethylpentyl)pyridine-4-carboxamide
CID 115115941
N-[(2,4-dimethylphenyl)methyl]-2-hydroxyacetamide
CID 82125722
2-N-(2-cyanophenyl)-4-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085583
2-cyano-N'-(pyridine-4-carbonyl)pyridine-4-carbohydrazide
CID 175673334

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(2,4-dimethylphenyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2-cyano-N-[(2,4-dimethylphenyl)methyl]pyridine-4-carboxamide (CID 115115865) is 2-cyano-N-[(2,4-dimethylphenyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-cyano-N-[(2,4-dimethylphenyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-cyano-N-[(2,4-dimethylphenyl)methyl]pyridine-4-carboxamide is Cc1ccc(CNC(=O)c2ccnc(C#N)c2)c(C)c1.
What is the InChIKey of 2-cyano-N-[(2,4-dimethylphenyl)methyl]pyridine-4-carboxamide?
The InChIKey is ZCQKCZZVNXDQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-11-3-4-14(12(2)7-11)10-19-16(20)13-5-6-18-15(8-13)9-17/h3-8H,10H2,1-2H3,(H,19,20).
What are the key properties of 2-cyano-N-[(2,4-dimethylphenyl)methyl]pyridine-4-carboxamide?
2-cyano-N-[(2,4-dimethylphenyl)methyl]pyridine-4-carboxamide has a molecular weight of 265.32 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(2,4-dimethylphenyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 115115865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).